Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(OC)n2)c1OC
InChI=1S/C22H23N7O4/c1-23-22(31)18-15(11-16(28-29-18)26-21(30)12-7-8-12)25-14-6-4-5-13(19(14)33-3)20-24-10-9-17(27-20)32-2/h4-6,9-12H,7-8H2,1-3H3,(H,23,31)(H2,25,26,28,30)/i1D3
XRWVUYRJQUAYSL-FIBGUPNXSA-N
452.49